238423

Source:http://linkedlifedata.com/resource/chembl/compound/238423

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H26F2N4O3/c1-3-25-8-11-6-7-26(9-11)19-15(22)17(24-2)14-18(16(19)23)27(12-4-5-12)10-13(20(14)28)21(29)30/h10-12,24-25H,3-9H2,1-2H3,(H,29,30)
chemicalCompound:standardIn...	IWVJNYOIZBVCKG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNCC1CCN(C1)c2c(F)c(NC)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O
chemicalCompound:molecularF...	C21 H26 F2 N4 O3
chemicalCompound:moleculeId	238423
chemicalCompound:mwFreebase	420.453
chemicalCompound:alogp	-0.626
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	84.91
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.42
chemicalCompound:acdLogP	2.043
chemicalCompound:acdLogD	-0.509
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	420.453
chemicalCompound:acdMostBpk...	10.449
chemicalCompound:chemblId	CHEMBL359193
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:338423
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:80590, activity:80591, activity:80592, activity:82098, activity:82099, activity:82100, activity:82101, activity:82102, activity:82103, activity:82104, activity:82105, activity:82106, activity:82107, activity:82108, activity:82109, activity:82110, activity:82111, activity:82112